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2-hydroxy-1- (morpholin-4-yl) ethan-1-one

CAT: 0926-BCA06878-01Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-BCA06878-01Size:250 g
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CAS Number
51068-78-1
MDL Number
MFCD08436413
Smiles
C1COCCN1C (=O) CO
Molecular Formula
C6H11NO3
Molecular Weight
145.15 g/mol
Controlled
No

Chemical Information

2-Hydroxy-1-(morpholin-4-yl)ethan-1-one
CAS Number51068-78-1
PubChem CID6480484
IUPAC Name2-hydroxy-1-morpholin-4-ylethanone
Molecular FormulaC6H11NO3
Molecular Weight145.16
XLogP-1.3
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1COCCN1C(=O)CO
InChI
InChI=1S/C6H11NO3/c8-5-6(9)7-1-3-10-4-2-7/h8H,1-5H2
InChIKey
PHCSTEJVICOGEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-1-(morpholin-4-yl)ethan-1-one
CAS: 51068-78-1
CID: 6480484
Formula: C6H11NO3
MW: 145.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight145.16
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass145.07389321
Monoisotopic Mass145.07389321
Topological Polar Surface Area49.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes